Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 15/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 4/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8543107 | 0.99 | DRD4 (0.65) | DRD4HTTDRD2DRD3HPGD | |
| SCHEMBL1388197 | 0.80 | DRD4 (1.00) | DRD4HTTDRD2DRD3HPGD | |
| SCHEMBL1388041 | 0.77 | DRD4 (0.69) | DRD4HTTDRD2DRD3HPGD | |
| SCHEMBL1388264 | 0.76 | DRD4 (0.65) | DRD4HTTDRD2DRD3HPGD | |
| SCHEMBL8669389 | 0.76 | DRD2 (0.46) | DRD4HTTDRD2DRD3NPC1 | |
| SCHEMBL1388460 | 0.76 | DRD4 (0.67) | DRD4HTTDRD2DRD3HPGD | |
| SCHEMBL1388210 | 0.75 | DRD4 (0.66) | DRD4HTTDRD2DRD3HPGD | |
| SCHEMBL1388209 | 0.75 | DRD4 (0.66) | DRD4HTTDRD2DRD3HPGD | |
| SCHEMBL6795669 | 0.75 | PARP1 (0.71) | — | |
| SCHEMBL1388288 | 0.74 | DRD4 (0.65) | DRD4HTTDRD2DRD3HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235572-A2 | METHOD TO TREAT PAIN UTILIZING BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2002-09-04 | — | — | EP | claimed |
| US-6362196-B1 | N-METHYLASPARATIC ACID ANTAGONIST | MERCK & CO., INC. | 2002-03-26 | — | — | US | claimed |
| WO-2001030330-A2 | METHOD TO TREAT PAIN UTILIZING BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-05-03 | — | — | WO | claimed |
| EP-0689535-B1 | BENZIMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME (GB) | 1998-09-23 | — | — | EP | claimed |
| JP-H08508030-A | — | — | 1996-08-27 | — | — | JP | claimed |
| EP-0689535-A1 | BENZIMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1996-01-03 | — | — | EP | claimed |
| WO-1994021615-A1 | BENZIMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-29 | — | — | WO | claimed |
| EP-1235572-A2 | METHOD TO TREAT PAIN UTILIZING BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2002-09-04 | — | — | EP | disclosed |
| US-6362196-B1 | N-METHYLASPARATIC ACID ANTAGONIST | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |
| WO-2001030330-A2 | METHOD TO TREAT PAIN UTILIZING BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-05-03 | — | — | WO | disclosed |
| EP-0689535-B1 | BENZIMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME (GB) | 1998-09-23 | — | — | EP | disclosed |
| US-5714498-A | Benzimidazole derivatives | MERCK, SHARP, & DOHME, LTD. (GB) | 1998-02-03 | — | — | US | disclosed |
| EP-0689535-A1 | BENZIMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1996-01-03 | — | — | EP | disclosed |
| WO-1994021615-A1 | BENZIMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-29 | — | — | WO | disclosed |